Phosphomevalonic acid

C6H13O7P — CID 476

IUPAC3-hydroxy-3-methyl-5-phosphonooxypentanoic acid
SMILESCC(CCOP(=O)(O)O)(CC(=O)O)O
InChIInChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)
InChIKeyOKZYCXHTTZZYSK-UHFFFAOYSA-N
MW228.14 g/mol
LogP-2.10
Rot. Bonds6

About Phosphomevalonic acid

Phosphomevalonic acid (PubChem CID 476) has the molecular formula C6H13O7P and a molecular weight of 228.14 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-5-phosphonooxypentanoic acid.

Molecular Properties

Compound NamePhosphomevalonic acid
PubChem CID476
Molecular FormulaC6H13O7P
Molecular Weight228.14 g/mol
Exact Mass228.04
IUPAC Name3-hydroxy-3-methyl-5-phosphonooxypentanoic acid
SMILESCC(CCOP(=O)(O)O)(CC(=O)O)O
InChIInChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)
InChIKeyOKZYCXHTTZZYSK-UHFFFAOYSA-N
XLogP-2.10
TPSA124.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms14
Complexity247

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 5-2.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Mevalonic Acid
CID 449
(R)-(-)-Mevalonic acid
CID 439230
(R)-5-Diphosphomevalonate
CID 439418
(3S)-3-hydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid
CID 22833574
(R)-5-diphosphonatomevalonate(4-)
CID 24916915
(3R)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid
CID 439400
(R)-mevalonate
CID 5288798
6-Fluoromevalonate pyrophosphate
CID 44306087
(RS)-5-diphosphomevalonate
CID 516
(R)-5-phosphonatomevalonate(3-)
CID 25244548
Mevalonate
CID 4478250
(R)-Mevalonate 3-phosphate
CID 86287502

Frequently Asked Questions

What is the IUPAC name of Phosphomevalonic acid?
The IUPAC name of Phosphomevalonic acid (CID 476) is 3-hydroxy-3-methyl-5-phosphonooxypentanoic acid.
What is the SMILES notation for Phosphomevalonic acid?
The canonical SMILES for Phosphomevalonic acid is CC(CCOP(=O)(O)O)(CC(=O)O)O.
What is the InChIKey of Phosphomevalonic acid?
The InChIKey is OKZYCXHTTZZYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12).
What are the key properties of Phosphomevalonic acid?
Phosphomevalonic acid has a molecular weight of 228.14 g/mol, XLogP of -2.10, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Phosphomevalonic acid is sourced from PubChem (CID 476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).